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DOE OSTI2022

Atmospheric pressure plasma functionalization of polystyrene

Atmospheric pressure plasma jets (APPJs) are used to improve the adhesive and hydrophilic properties of commodity hydrocarbon polymers such as polypropylene, polyethylene, and polystyrene (PS). These improvements largely result from adding oxygen functional groups to the surface. PS functionalization is of interest to produce high value biocompatible well-plates and dishes, which require precise control over surface properties. In this paper, we discuss results from a computational investigation of APPJ functionalization of PS surfaces using He/O 2 /H 2 O gas mixtures. A newly developed surface reaction mechanism for functionalization of PS upon exposure to these plasmas is discussed. A global plasma model operated in plug-flow mode was used to predict plasma-produced species fluxes onto the PS surface. A surface site balance model was used to predict oxygen-functionalization of the PS following exposure to the plasma and ambient air. We found that O-occupancy on the surface strongly correlates with the O-atom flux to the PS, with alcohol groups and cross-linked products making the largest contributors to total oxygen fraction. Free radical sites, such as alkoxy and peroxy, are quickly consumed in the post-plasma exposure to air through passivation and cross-linking. O-atom fluences approaching 10 17 cm -2 saturate the O-occupancy on the PS surface, creating functionality that is not particularly sensitive to moderate changes in operating conditions.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Generation of Tin-Vacancy Centers in Diamond via Shallow Ion Implantation and Subsequent Diamond Overgrowth

Group IV color centers in diamond have garnered great interest for their potential as optically active solid-state spin qubits. The future utilization of such emitters requires the development of precise site-controlled emitter generation techniques that are compatible with high-quality nanophotonic devices. This task is more challenging for color centers with large group IV impurity atoms, which are otherwise promising because of their predicted long spin coherence times without a dilution refrigerator. For example, when applied to the negatively charged tin-vacancy (SnV – ) center, conventional site-controlled color center generation methods either damage the diamond surface or yield bulk spectra with unexplained features. Here we demonstrate a novel method to generate site-controlled SnV – centers with clean bulk spectra. We shallowly implant Sn ions through a thin implantation mask and subsequently grow a layer of diamond via chemical vapor deposition. This method can be extended to other color centers and integrated with quantum nanophotonic device fabrication.

36 MATERIALS SCIENCE↗

DOE OSTI2025

DEVELOPMENT OF INEXPENSIVE HIGH TEMPERATURE NITI-BASED SHAPE MEMORY ALLOYS FOR POWDER BED ADDITIVE MANUFACTURING

NiTi and NiTi-based Shape Memory Alloys (SMA) exhibit a reversible solid-state phase transformation from martensite to austenite driven by thermal energy. High temperature (Mf>100°C) SMAs are martensite at room temperature and can be fabricated into solid-state actuators that return to a pre-programmed shape against a designed load after heating to transformation threshold. Reactive as-fabricated additively manufactured parts (4-D printing) is the current state of the art in manufacturing of SMAs but requires compositions compliant to rapid solidification. Existing actuator designs are developed from commercially available, highly investigated material compositions. However, existing high temperature high performance (high actuation strain, low thermal hysteresis) shape memory alloys contain significant (>10% at.) portions of high-cost Platinum Group Metals (PGMs). It is of significant scientific interest to investigate material compositions that are peer performing or superior to PGMs whose constituent elements represent a significant cost savings. Shape memory alloy properties vary significantly with small (0.1% at.) compositional changes making robust investigative sample sets very large. Computational material design can be deployed to shrink the compositional space of possible alloy combinations and reduce the experimental load in material discovery. Investigating shape memory effect (SME) and validating process additive process parameters for a single novel composition is cost intensive in both time and consumed materials. Additionally, sub-optimal processing, oxygen, or solidification rate sensitivity could render additively manufacturing specimens without micro, macro cracks, or significant chemical variance impossible. Unfortunately, such failure susceptibility cannot be simulated. Therefore, a research pathway to validate novel shape memory alloy compositions for powder bed fusion additive manufacturing without the need for powdered feedstock is also proposed. This research investigates novel high temperature shape memory alloys for actuators without platinum group alloying elements to discover one that could be commercially viable as an additive manufacturing feedstock.

Sundermann, Tayler↗

DOE OSTI2012

MCNP6 Results for the Phase III Sensitivity Benchmark of the OCED/NEA Expert Group on Uncertainty Analysis for Criticality Safety Assessment

Within the last decade, there has been increasing interest in the calculation of cross section sensitivity coefficients of k eff for integral experiment design and uncertainty analysis. The OECD/NEA has an Expert Group devoted to Sensitivity and Uncertainty Analysis within the Working Party for Nuclear Criticality Safety. This expert group has developed benchmarks to assess code capabilities and performance for doing sensitivity and uncertainty analysis. Phase III of a set of sensitivity benchmarks evaluates capabilities for computing sensitivity coefficients. MCNP6 has the capability to compute cross section sensitivities for k eff using continuous-energy physics. To help verify this capability, results for the Phase III benchmark cases are generated and submitted to the Expert Group for comparison. The Phase III benchmark has three cases: III.1, an array of MOX fuel pins, III.2, a series of infinite lattices of MOX fuel pins with varying pitches, and III.3 two spheres with homogeneous mixtures of UF 4 and polyethylene with different enrichments.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS2002

Continuing Development of a Collaborative Plan to Further Engage South Dakota in NASA's Earth Science Enterprise

An ongoing set of research planning activities have occurred in South Dakota as a consequence of the past two years of NASA-EPSCoR Preparation Grants. During this time a group of approximately 60 scientists, engineers, and university administrators in South Dakota have been directly involved as "theme team" members in a series of five all-day meetings to identify the research and technological priorities that are consistent both with NASA-ESE's interests and the State's expertise. Institutions represented within the group's membership include: South Dakota School of Mines & Technology, South Dakota State University, Augustana College, University of South Dakota, USGS EROS Data Center, Si ranks College, Santa Gleska University, Sisseton Wahpeton Community College, USGS Water Resources Division, US National Weather Service, and the SD Department of Environment & Natural Resources. Many of these organizations are also members and affiliates of the SD Space Grant Consortium. The evolving plan has been guided by the following desirable actions: 1. To establish new contacts and strengthen existing linkages with NASA Centers, relevant NASA researchers, and key personnel at the USGS EROS Data Center. 2. To promote participation from the State's major research institutions, State agencies, and relevant businesses in South Dakota that are interested in strengthening our scientific and technological enterprises. 3. To develop the State's scientific talent and infrastructure for enhanced competitiveness in research, development, and technology-based economic development. 4. To encourage greater participation by under represented groups, especially Native Americans, in scientific education and research. 5. To build greater public and political support in South Dakota for the overall science, engineering, and technology enterprise. 6. To communicate the benefits of current and future NASA programs to the progress and development of South Dakota, the Northern Great Plains Region, and the Nation.

Farwell, Sherry O.↗

DOE OSTI2024

Non-invertible Symmetries and their Applications (Final Report)

Symmetries have long been a staple of theoretical physics. Recent developments have led to extensions of the notion of symmetry to so-called generalized symmetries, a particularly interesting class of which are non-invertible symmetries. Whereas traditional symmetries form a group—a mathematical structure capturing the intuition that the composition of two symmetry transformations is another symmetry transformation, and that every symmetry transformation can be undone by an inverse transformation—non-invertible symmetries have the interesting property that they do not form a group. The current award was used to pursue the study of non-invertible symmetries, focusing on both their mathematical framework and physical applications.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2013

Recent developments in atomic/nuclear methodologies used for the study of cultural heritage objects

Archaeometry is an area established in the international community since the 60s, with extensive use of atomic-nuclear methods in the characterization of art, archaeological and cultural heritage objects in general. In Brazil, however, until the early '90s, employing methods of physics, only the area of archaeological dating was implemented. It was only after this period that Brazilian groups became involved in the characterization of archaeological and art objects with these methodologies. The Laboratory of Applied Nuclear Physics, State University of Londrina (LFNA/UEL) introduced, pioneered in 1994, Archaeometry and related issues among its priority lines of research, after a member of LFNA has been involved in 1992 with the possibilities of tomography in archaeometry, as well as the analysis of ancient bronzes by EDXRF. Since then, LFNA has been working with PXRF and Portable Raman in several museums in Brazil, in field studies of cave paintings and in the laboratory with material sent by archaeologists, as well as carrying out collaborative work with new groups that followed in this area. From 2003/2004 LAMFI/DFN/IFUSP and LIN/COPPE/UFRJ began to engage in the area, respectively with methodologies using ion beams and PXRF, then over time incorporating other techniques, followed later by other groups. Due to the growing number of laboratories and institutions/archaeologists/conservators interested in these applications, in may 2012 was created a network of available laboratories, based at http://www.dfn.if.usp.br/lapac. It will be presented a panel of recent developments and applications of these methodologies by national groups, as well as a sampling of what has been done by leading groups abroad.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2019

EOS Aqua Mission Status at the Earth Science Constellation (ECS) Mission Operations Working Group (MOWG) Meeting in Toulouse, France

This presentation provides mission operations status for the Earth Observing System (EOS) Aqua satellite for the past six-months (December 2018 through May 2019). It only contains information that is of interest to the International Earth Science Constellation (ESC) Mission Operations Working Group (MOWG) member missions. It will be presented at the bi-annual MOWG Meeting in Toulouse, France on Wednesday, June 5, 2019. These meetings have been occurring twice a year since the MOWG was formed in 2003.

EOS Aqua↗

NASA NTRS2019

EOS Aqua Mission Status at the Earth Science Constellation (ESC) Mission Operations Working Group (MOWG) Meeting in Gilbert, AZ

This presentation provides mission operations status for the Earth Observing System (EOS) Aqua satellite for the past six-months (June 2019 through November 2019). It only contains information that is of interest to the International Earth Science Constellation (ESC) Mission Operations Working Group (MOWG) member missions. It will be presented at the bi-annual MOWG Meeting in Gilbert, Arizona on Tuesday, December 3, 2019. These meetings have been occurring twice a year since the MOWG was formed in 2003.

Guit, Bill↗

DOE OSTI2023

Analytical Radiochemical Method Development for Mark 18A Program

The Savannah River National Laboratory Nuclear Measurements Group was tasked by the Mark 18A Program team with developing three analytical characterization methods. These methods will support process and waste characterization of the Mark 18A program material. While methods already existed for most analytes of interest to the Mark 18A program team, the Nuclear Measurements Group developed and refined methods to quantify the Cf isotopes, 107 Pd, and 121m Sn. The results of that effort are presented in this work. Methods were successfully developed to characterize the Mark 18A samples for the needed isotopes and the NMG is ready to receive Mark 18A program samples.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Composition dependence of atomic order in strain-relaxed, metastable GeSn alloys

Extended x-ray absorption fine structure (EXAFS) measurements of single-crystal Ge/GeSn radial heterostructure nanowires are used to examine the effects of composition on both short-range order (SRO) and longer-range disorder in GeSn alloys. GeSn has prompted significant interest because it can achieve a direct band gap for sufficient Sn concentrations beyond the equilibrium solid solubility limit in an all-group IV system. Short-range order in this material is particularly interesting as it has been predicted to affect the band gap independent of average composition or strain effects. By independently controlling the Sn composition and GeSn thickness during chemical vapor deposition of misfitting GeSn shells around ultrathin, elastically compliant, Ge core nanowires, the elastic misfit strain in the GeSn is minimized for Sn compositions over the studied range ≈Ge 0.96 Sn 0.04 to Ge 0.88 Sn 0.12 . The degree of SRO was found to decrease with increasing Sn composition. Additionally, damping of the EXAFS signal was observed as the Sn content increased, particularly for increasingly distant atomic shells about the absorbing atom, even for scattering paths not involving Sn atoms. This result is quantified as an increase in the mean-squared relative displacement parameters of the shells. These measurements reveal the accommodation of local strain due to the presence of the highly size-mismatched Sn atoms in the Ge diamond cubic lattice (≈14%), which may have effects on the band structure of the material in addition to the influence of short-range atomic order. Comparison among the nanowire samples allows for calculation of the topological rigidity parameter, a ∗∗ , for the first-neighbor bond lengths. Furthermore, these exhibit chemically distinct values for Ge-Ge, Ge-Sn, and Sn-Sn, and they are consistent with the value a ∗∗ = 0.75 ± 0.07 confirming the general applicability of the model to alloys with both large amounts of natural misfit strain and the potential for short-range order.

Crystal structure Semiconductors Transmission elec↗

NASA NTRS1988

Study of industry requirements that can be fulfilled by combustion experimentation aboard space station

The purpose of this study is to define the requirements of commercially motivated microgravity combustion experiments and the optimal way for space station to accommodate these requirements. Representatives of commercial organizations, universities and government agencies were contacted. Interest in and needs for microgravity combustion studies are identified for commercial/industrial groups involved in fire safety with terrestrial applications, fire safety with space applications, propulsion and power, industrial burners, or pollution control. From these interests and needs experiments involving: (1) no flow with solid or liquid fuels; (2) homogeneous mixtures of fuel and air; (3) low flow with solid or liquid fuels; (4) low flow with gaseous fuel; (5) high pressure combustion; and (6) special burner systems are described and space station resource requirements for each type of experiment provided. Critical technologies involving the creation of a laboratory environment and methods for combining experimental needs into one experiment in order to obtain effective use of space station are discussed. Diagnostic techniques for monitoring combustion process parameters are identified.

Priem, Richard J.↗

DOE OSTI2016

JELLYFISH GALAXY CANDIDATES AT LOW REDSHIFT

Galaxies that are being stripped of their gas can sometimes be recognized from their optical appearance. Extreme examples of stripped galaxies are the so-called “jellyfish galaxies” that exhibit tentacles of debris material with a characteristic jellyfish morphology. We have conducted the first systematic search for galaxies that are being stripped of their gas at low-z (z = 0.04−0.07) in different environments, selecting galaxies with varying degrees of morphological evidence for stripping. We have visually inspected B- and V-band images and identified 344 candidates in 71 galaxy clusters of the OMEGAWINGS+WINGS sample and 75 candidates in groups and lower mass structures in the PM2GC sample. We present the atlas of stripping candidates and a first analysis of their environment and their basic properties, such as morphologies, star formation rates and galaxy stellar masses. Candidates are found in all clusters and at all clustercentric radii, and their number does not correlate with the cluster velocity dispersion σ or X-ray luminosity L{sub X}. Interestingly, convincing cases of candidates are also found in groups and lower mass halos (10{sup 11}−10{sup 14}M{sub ⊙}), although the physical mechanism at work needs to be securely identified. All the candidates are disky, have stellar masses ranging from log M/M{sub ⊙} < 9 to > 11.5 and the majority of them form stars at a rate that is on average a factor of 2 higher (2.5σ) compared to non-stripped galaxies of similar mass. The few post-starburst and passive candidates have weak stripping evidence. We conclude that disturbed morphologies suggestive of stripping phenomena are ubiquitous in clusters and could be present even in groups and low mass halos. Further studies will reveal the physics of the gas stripping and clarify the mechanisms at work.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1973

Comparison of Lidar Methods for Remote Measurement of Air Pollutants

This paper presents quantitative comparisons of several single-ended lidar techniques for the remote measurement of gaseous pollutants. These techniques are divided into two groups. The first group is based on the measurement of energy scattered directly by the gas of interest. The gaseous scattering processes considered are ordinary fluorescence, resonance fluorescence (also called resonance scattering), Raman scattering, and resonant (or nearly resonant) Raman scattering. The second group is based on the measurement of a characteristic differential absorption produced by the gas of interest at two discrete wavelengths, using energy scattered back toward the receiver by a remote reflector other than the gas of interest. The remote reflector may be intermixed with the gas of interest, as is the case with aerosols and atmospheric gases (principally nitrogen), or they may be fixed reflectors such as terrestrial objects or retroflectors. The detectability of a given material will depend on the magnitude and characteristics of the optical interaction with that material. The main characteristics of interest are the cross section, the response time, and the spectral response of the material relative to both the transmit and receive functions of the lidar. These characteristics and their implications for remote sensing will be reviewed for the four direct scatter processes and for the differential absorption technique. The characteristic behavior of the direct backscatter technique is different from the differential absorption technique with respect to sensitivity, concentration of material, and the effect of range. For these reasons, the direct backscatter processes cannot be compared directly to the differential absorption technique. The two techniques can be compared for specific material and system configurations, however. This paper describes specific lidar system configurations and gives the calculated performance level for these systems in both the direct backscatter and differential absorption modes for a wide variety of pollutant monitoring situations. The results of this comparison of techniques indicate that the differential- absorption lidar technique can provide adequate range and sensitivity for a wide variety of pollution monitoring applications involving a number of interesting pollutant materials. No other single technique appears to provide these capabilities for such a wide range of materials.

Wright, M. L.↗

DOE OSTI2017

Graphene Oxide Epoxy (GO-xy): GO as Epoxy Adhesive by Interfacial Reaction of Functionalities

The unique combination of layered structure and chemical moieties grants very interesting physiochemical properties to graphene oxide (GO). Functional groups such as epoxide, hydroxyl, and carboxyl are abundantly distributed along the hexagonal lattice of carbon atoms. The superior properties of GO and increased interfacial interaction with other compounds make them excellent filler materials in polymers such as epoxies for creating multifunctional composites. Alternatively, the presence of epoxide group on GO opens up the possibility of using it as the major epoxy matrix constituent rather than just as a filler material. In this work, the formation of GO-xy (cross-linked GO via the epoxide functionality) resin is reported by reaction of GO with polymercaptan-based hardener by completely eliminating the need for conventional epoxy component. Substituting epoxy with GO marks notable advance in preparing adhesive materials with high temperature stability.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Evaluation of a performance appraisal framework for radiation therapists in planning and simulation

Constantly evolving technology and techniques within radiation therapy require practitioners to maintain a continuous approach to professional development and training. Systems of performance appraisal and adoption of regular feedback mechanisms are vital to support this development yet frequently lack structure and rely on informal peer support. A Radiation Therapy Performance Appraisal Framework (RT-PAF) for radiation therapists in planning and simulation was developed to define expectations of practice and promote a supportive and objective culture of performance and skills appraisal. Evaluation of the framework was conducted via an anonymous online survey tool. Nine peer reviewers and fourteen recipients provided feedback on its effectiveness and the challenges and limitations of the approach. Findings from the evaluation were positive and suggested that both groups gained benefit from and expressed a strong interest in embedding the approach more routinely. Respondents identified common challenges related to the limited ability to implement suggested development strategies; this was strongly associated with time and rostering issues. This framework successfully defined expectations for practice and provided a fair and objective feedback process that focussed on skills development. It empowered staff to maintain their skills and reach their professional potential. Management support, particularly in regard to provision of protected time was highlighted as critical to the framework's ongoing success. The demonstrated benefits arising in terms of staff satisfaction and development highlight the importance of this commitment to the modern radiation therapy workforce.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2018

N-(2-Azidoethyl) derivatives of methylenebis(1-oxytriaz-1-ene 2-oxides)

A method for synthesizing new compounds capable of releasing NO within living organisms, namely, 2-azidoethyl derivatives of methylenebis(1-oxytriaz-1-ene 2-oxides) bearing one or few 2-azidoethyl moieties, was developed. The synthesis involves nucleophilic substitution of the bromine atoms of the parent 2-bromoethyl derivatives of methylenebis(1-oxytriaz-1-ene 2-oxides) with the azide group. Some of the synthesized compounds are of interest as promising energetic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2018

Evaluation of β-galactosidase from Lactobacillus acidophilus as biocatalyst for galacto-oligosaccharides synthesis: Product structural characterization and enzyme immobilization

β-Galactosidase is an important industrial enzyme that catalyzes reaction of lactose hydrolysis and recently more interesting reaction of transgalactosylation, yielding a highly valuable group of prebiotic compounds named galacto-oligosaccharides (GOS). In this paper, parameters for achieving high yields of tailor-made GOS using crude β-galactosidase obtained from Lactobacillus acidophilus ATCC 4356, probiotic bacteria regarded as safe for human consumption, were optimized. At the same time, detailed structural elucidation of obtained GOS was conducted, and it was concluded that β-galactosidase from L. acidophilus shows a particular specificity towards the formation of β-(1 → 6) glycosidic bonds. In order to develop more stable and economically cost-effective preparation, crude enzyme was successfully immobilized on a methacrylic polymer carrier Lifetech ECR8409, leading to its simultaneous 2-fold purification. In conclusion, this immobilized preparation showed unchanged specificity towards the transgalactosylation reaction, thus yielding 86 g/l GOS under the previously optimized conditions (lactose concentration 400 g/l in 0.1 M sodium phosphate buffer, pH 6.8 and temperature 50°C).

59 BASIC BIOLOGICAL SCIENCES↗